3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride

C19H30Cl2N2O3 — CID 119443735

IUPAC3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)N(C)C2CCNCC2)cc(Cl)c1OCCC(C)C.Cl
InChIInChI=1S/C19H29ClN2O3.ClH/c1-13(2)7-10-25-18-16(20)11-14(12-17(18)24-4)19(23)22(3)15-5-8-21-9-6-15;/h11-13,15,21H,5-10H2,1-4H3;1H
InChIKeyJHDOZJXZIWNVPI-UHFFFAOYSA-N
MW405.37 g/mol
LogP4.02
Rot. Bonds7

About 3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride

3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119443735) has the molecular formula C19H30Cl2N2O3 and a molecular weight of 405.37 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119443735
Molecular FormulaC19H30Cl2N2O3
Molecular Weight405.37 g/mol
Exact Mass404.16
IUPAC Name3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)N(C)C2CCNCC2)cc(Cl)c1OCCC(C)C.Cl
InChIInChI=1S/C19H29ClN2O3.ClH/c1-13(2)7-10-25-18-16(20)11-14(12-17(18)24-4)19(23)22(3)15-5-8-21-9-6-15;/h11-13,15,21H,5-10H2,1-4H3;1H
InChIKeyJHDOZJXZIWNVPI-UHFFFAOYSA-N
XLogP4.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443779
4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119553771
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 125134434
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-chloro-5-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
CID 120659326
3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443555
3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119441173
3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442005
3-methoxy-N-methyl-N-piperidin-4-yl-4-propan-2-yloxybenzamide
CID 119443778
1-[4-[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777676
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide;hydrochloride
CID 120508088
[3-chloro-5-methoxy-4-(3-methylbutoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 112759581
3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide
CID 134058516

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride (CID 119443735) is 3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride is COc1cc(C(=O)N(C)C2CCNCC2)cc(Cl)c1OCCC(C)C.Cl.
What is the InChIKey of 3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is JHDOZJXZIWNVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O3.ClH/c1-13(2)7-10-25-18-16(20)11-14(12-17(18)24-4)19(23)22(3)15-5-8-21-9-6-15;/h11-13,15,21H,5-10H2,1-4H3;1H.
What are the key properties of 3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride?
3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 405.37 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119443735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).